Abstract
In the present work, we have performed a detailed study on the influence of Bi adsorption on the structural and electronic properties of the InAs (001) surface. We have considered five prototypes of Bi/InAs (001)-beta(2)(2 x 4) and alpha(2)(2 x 4) structures with different Bi coverage Theta. We have revealed that the substitution of As dimers by Bi atoms introduces structural and geometrical change on the InAs (001) surface. At As-rich conditions, our obtained results prove that the increasing of Bi coverage Theta can stabilize the Bi/InAs (001) structure. The electronic structure of the beta(2) and alpha(2) are also presented.